SCHEMBL20197348

SCHEMBL20197348

C=CCO[C@H]1C(OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.50
MTOR P42345 1/20 0.50
BCHE P06276 4/20 0.48
ALOX15 P16050 1/20 0.47
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.41
ACHE P22303 3/20 0.40
IDO1 P14902 1/20 0.39
TACR1 P25103 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9456323 1.00 PDPK1 (0.50) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL20197127 1.00 PDPK1 (0.50) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL9456326 1.00 PDPK1 (0.50) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL20197126 1.00 PDPK1 (0.50) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL13996383 1.00 PDPK1 (0.50) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL9293835 0.92 BCHE (0.52) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL9456318 0.92 BCHE (0.52) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL9456071 0.92 BCHE (0.52) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL6372903 0.92 BCHE (0.52) PDPK1MTORBCHEALOX15CYP3A4
SCHEMBL9439413 0.92 BCHE (0.52) PDPK1MTORBCHEALOX15CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847154-B1 RADIOTRACER, IN PARTICULAR FOR CANCER UNIV DE LORRAINE (FR) 2018-05-30 EP disclosed